complex_id stringlengths 6 8 | ligand_pdbqt_path stringlengths 34 38 | target_pdbqt_path stringlengths 34 38 | decoys_pdbqt_path stringlengths 34 38 ⌀ | decoy_scores_csv_path stringlengths 38 42 ⌀ |
|---|---|---|---|---|
4RXM-INS | data/4R/4RXM-INS/4RXM-INS_ligand.pdbqt | data/4R/4RXM-INS/4RXM-INS_target.pdbqt | data/4R/4RXM-INS/4RXM-INS_decoys.pdbqt | data/4R/4RXM-INS/4RXM-INS_decoy_scores.csv |
4RRK-A3T | data/4R/4RRK-A3T/4RRK-A3T_ligand.pdbqt | data/4R/4RRK-A3T/4RRK-A3T_target.pdbqt | data/4R/4RRK-A3T/4RRK-A3T_decoys.pdbqt | data/4R/4RRK-A3T/4RRK-A3T_decoy_scores.csv |
4RVG-TYD | data/4R/4RVG-TYD/4RVG-TYD_ligand.pdbqt | data/4R/4RVG-TYD/4RVG-TYD_target.pdbqt | data/4R/4RVG-TYD/4RVG-TYD_decoys.pdbqt | data/4R/4RVG-TYD/4RVG-TYD_decoy_scores.csv |
4RLC-C8E | data/4R/4RLC-C8E/4RLC-C8E_ligand.pdbqt | data/4R/4RLC-C8E/4RLC-C8E_target.pdbqt | data/4R/4RLC-C8E/4RLC-C8E_decoys.pdbqt | data/4R/4RLC-C8E/4RLC-C8E_decoy_scores.csv |
4RCZ-GNP | data/4R/4RCZ-GNP/4RCZ-GNP_ligand.pdbqt | data/4R/4RCZ-GNP/4RCZ-GNP_target.pdbqt | data/4R/4RCZ-GNP/4RCZ-GNP_decoys.pdbqt | data/4R/4RCZ-GNP/4RCZ-GNP_decoy_scores.csv |
4R8N-THP | data/4R/4R8N-THP/4R8N-THP_ligand.pdbqt | data/4R/4R8N-THP/4R8N-THP_target.pdbqt | data/4R/4R8N-THP/4R8N-THP_decoys.pdbqt | data/4R/4R8N-THP/4R8N-THP_decoy_scores.csv |
4R5X-R5X | data/4R/4R5X-R5X/4R5X-R5X_ligand.pdbqt | data/4R/4R5X-R5X/4R5X-R5X_target.pdbqt | data/4R/4R5X-R5X/4R5X-R5X_decoys.pdbqt | data/4R/4R5X-R5X/4R5X-R5X_decoy_scores.csv |
4RDR-C8E | data/4R/4RDR-C8E/4RDR-C8E_ligand.pdbqt | data/4R/4RDR-C8E/4RDR-C8E_target.pdbqt | data/4R/4RDR-C8E/4RDR-C8E_decoys.pdbqt | data/4R/4RDR-C8E/4RDR-C8E_decoy_scores.csv |
4R41-4NO | data/4R/4R41-4NO/4R41-4NO_ligand.pdbqt | data/4R/4R41-4NO/4R41-4NO_target.pdbqt | data/4R/4R41-4NO/4R41-4NO_decoys.pdbqt | data/4R/4R41-4NO/4R41-4NO_decoy_scores.csv |
4RD3-GDP | data/4R/4RD3-GDP/4RD3-GDP_ligand.pdbqt | data/4R/4RD3-GDP/4RD3-GDP_target.pdbqt | data/4R/4RD3-GDP/4RD3-GDP_decoys.pdbqt | data/4R/4RD3-GDP/4RD3-GDP_decoy_scores.csv |
4R6R-147 | data/4R/4R6R-147/4R6R-147_ligand.pdbqt | data/4R/4R6R-147/4R6R-147_target.pdbqt | data/4R/4R6R-147/4R6R-147_decoys.pdbqt | data/4R/4R6R-147/4R6R-147_decoy_scores.csv |
4RJ8-3QS | data/4R/4RJ8-3QS/4RJ8-3QS_ligand.pdbqt | data/4R/4RJ8-3QS/4RJ8-3QS_target.pdbqt | data/4R/4RJ8-3QS/4RJ8-3QS_decoys.pdbqt | data/4R/4RJ8-3QS/4RJ8-3QS_decoy_scores.csv |
4R23-DXU | data/4R/4R23-DXU/4R23-DXU_ligand.pdbqt | data/4R/4R23-DXU/4R23-DXU_target.pdbqt | data/4R/4R23-DXU/4R23-DXU_decoys.pdbqt | data/4R/4R23-DXU/4R23-DXU_decoy_scores.csv |
4RWM-HG1 | data/4R/4RWM-HG1/4RWM-HG1_ligand.pdbqt | data/4R/4RWM-HG1/4RWM-HG1_target.pdbqt | data/4R/4RWM-HG1/4RWM-HG1_decoys.pdbqt | data/4R/4RWM-HG1/4RWM-HG1_decoy_scores.csv |
4RYX-PLM | data/4R/4RYX-PLM/4RYX-PLM_ligand.pdbqt | data/4R/4RYX-PLM/4RYX-PLM_target.pdbqt | data/4R/4RYX-PLM/4RYX-PLM_decoys.pdbqt | data/4R/4RYX-PLM/4RYX-PLM_decoy_scores.csv |
4RGC-FOL | data/4R/4RGC-FOL/4RGC-FOL_ligand.pdbqt | data/4R/4RGC-FOL/4RGC-FOL_target.pdbqt | data/4R/4RGC-FOL/4RGC-FOL_decoys.pdbqt | data/4R/4RGC-FOL/4RGC-FOL_decoy_scores.csv |
4R7L-SHH | data/4R/4R7L-SHH/4R7L-SHH_ligand.pdbqt | data/4R/4R7L-SHH/4R7L-SHH_target.pdbqt | null | null |
4R0M-FA5 | data/4R/4R0M-FA5/4R0M-FA5_ligand.pdbqt | data/4R/4R0M-FA5/4R0M-FA5_target.pdbqt | data/4R/4R0M-FA5/4R0M-FA5_decoys.pdbqt | data/4R/4R0M-FA5/4R0M-FA5_decoy_scores.csv |
4R2J-GLC | data/4R/4R2J-GLC/4R2J-GLC_ligand.pdbqt | data/4R/4R2J-GLC/4R2J-GLC_target.pdbqt | data/4R/4R2J-GLC/4R2J-GLC_decoys.pdbqt | data/4R/4R2J-GLC/4R2J-GLC_decoy_scores.csv |
4RW3-TDA | data/4R/4RW3-TDA/4RW3-TDA_ligand.pdbqt | data/4R/4RW3-TDA/4RW3-TDA_target.pdbqt | data/4R/4RW3-TDA/4RW3-TDA_decoys.pdbqt | data/4R/4RW3-TDA/4RW3-TDA_decoy_scores.csv |
4RRJ-A3S | data/4R/4RRJ-A3S/4RRJ-A3S_ligand.pdbqt | data/4R/4RRJ-A3S/4RRJ-A3S_target.pdbqt | data/4R/4RRJ-A3S/4RRJ-A3S_decoys.pdbqt | data/4R/4RRJ-A3S/4RRJ-A3S_decoy_scores.csv |
4RSC-A3V | data/4R/4RSC-A3V/4RSC-A3V_ligand.pdbqt | data/4R/4RSC-A3V/4RSC-A3V_target.pdbqt | data/4R/4RSC-A3V/4RSC-A3V_decoys.pdbqt | data/4R/4RSC-A3V/4RSC-A3V_decoy_scores.csv |
4R6E-3JD | data/4R/4R6E-3JD/4R6E-3JD_ligand.pdbqt | data/4R/4R6E-3JD/4R6E-3JD_target.pdbqt | data/4R/4R6E-3JD/4R6E-3JD_decoys.pdbqt | data/4R/4R6E-3JD/4R6E-3JD_decoy_scores.csv |
4R51-PHT | data/4R/4R51-PHT/4R51-PHT_ligand.pdbqt | data/4R/4R51-PHT/4R51-PHT_target.pdbqt | data/4R/4R51-PHT/4R51-PHT_decoys.pdbqt | data/4R/4R51-PHT/4R51-PHT_decoy_scores.csv |
4RNH-C2E | data/4R/4RNH-C2E/4RNH-C2E_ligand.pdbqt | data/4R/4RNH-C2E/4RNH-C2E_target.pdbqt | data/4R/4RNH-C2E/4RNH-C2E_decoys.pdbqt | data/4R/4RNH-C2E/4RNH-C2E_decoy_scores.csv |
4R8V-BTB | data/4R/4R8V-BTB/4R8V-BTB_ligand.pdbqt | data/4R/4R8V-BTB/4R8V-BTB_target.pdbqt | data/4R/4R8V-BTB/4R8V-BTB_decoys.pdbqt | data/4R/4R8V-BTB/4R8V-BTB_decoy_scores.csv |
4RJL-7PG | data/4R/4RJL-7PG/4RJL-7PG_ligand.pdbqt | data/4R/4RJL-7PG/4RJL-7PG_target.pdbqt | data/4R/4RJL-7PG/4RJL-7PG_decoys.pdbqt | data/4R/4RJL-7PG/4RJL-7PG_decoy_scores.csv |
4RAY-FLC | data/4R/4RAY-FLC/4RAY-FLC_ligand.pdbqt | data/4R/4RAY-FLC/4RAY-FLC_target.pdbqt | data/4R/4RAY-FLC/4RAY-FLC_decoys.pdbqt | data/4R/4RAY-FLC/4RAY-FLC_decoy_scores.csv |
4RSC-PLM | data/4R/4RSC-PLM/4RSC-PLM_ligand.pdbqt | data/4R/4RSC-PLM/4RSC-PLM_target.pdbqt | data/4R/4RSC-PLM/4RSC-PLM_decoys.pdbqt | data/4R/4RSC-PLM/4RSC-PLM_decoy_scores.csv |
4RJE-FNR | data/4R/4RJE-FNR/4RJE-FNR_ligand.pdbqt | data/4R/4RJE-FNR/4RJE-FNR_target.pdbqt | data/4R/4RJE-FNR/4RJE-FNR_decoys.pdbqt | data/4R/4RJE-FNR/4RJE-FNR_decoy_scores.csv |
4R0Q-B3P | data/4R/4R0Q-B3P/4R0Q-B3P_ligand.pdbqt | data/4R/4R0Q-B3P/4R0Q-B3P_target.pdbqt | data/4R/4R0Q-B3P/4R0Q-B3P_decoys.pdbqt | data/4R/4R0Q-B3P/4R0Q-B3P_decoy_scores.csv |
4RP8-ASC | data/4R/4RP8-ASC/4RP8-ASC_ligand.pdbqt | data/4R/4RP8-ASC/4RP8-ASC_target.pdbqt | data/4R/4RP8-ASC/4RP8-ASC_decoys.pdbqt | data/4R/4RP8-ASC/4RP8-ASC_decoy_scores.csv |
4RXS-TTP | data/4R/4RXS-TTP/4RXS-TTP_ligand.pdbqt | data/4R/4RXS-TTP/4RXS-TTP_target.pdbqt | data/4R/4RXS-TTP/4RXS-TTP_decoys.pdbqt | data/4R/4RXS-TTP/4RXS-TTP_decoy_scores.csv |
4RW3-IPD | data/4R/4RW3-IPD/4RW3-IPD_ligand.pdbqt | data/4R/4RW3-IPD/4RW3-IPD_target.pdbqt | data/4R/4RW3-IPD/4RW3-IPD_decoys.pdbqt | data/4R/4RW3-IPD/4RW3-IPD_decoy_scores.csv |
4RX0-ORO | data/4R/4RX0-ORO/4RX0-ORO_ligand.pdbqt | data/4R/4RX0-ORO/4RX0-ORO_target.pdbqt | data/4R/4RX0-ORO/4RX0-ORO_decoys.pdbqt | data/4R/4RX0-ORO/4RX0-ORO_decoy_scores.csv |
4R3N-3GQ | data/4R/4R3N-3GQ/4R3N-3GQ_ligand.pdbqt | data/4R/4R3N-3GQ/4R3N-3GQ_target.pdbqt | data/4R/4R3N-3GQ/4R3N-3GQ_decoys.pdbqt | data/4R/4R3N-3GQ/4R3N-3GQ_decoy_scores.csv |
4RXM-BGC | data/4R/4RXM-BGC/4RXM-BGC_ligand.pdbqt | data/4R/4RXM-BGC/4RXM-BGC_target.pdbqt | data/4R/4RXM-BGC/4RXM-BGC_decoys.pdbqt | data/4R/4RXM-BGC/4RXM-BGC_decoy_scores.csv |
4RHN-RIB | data/4R/4RHN-RIB/4RHN-RIB_ligand.pdbqt | data/4R/4RHN-RIB/4RHN-RIB_target.pdbqt | data/4R/4RHN-RIB/4RHN-RIB_decoys.pdbqt | data/4R/4RHN-RIB/4RHN-RIB_decoy_scores.csv |
4R5A-3J4 | data/4R/4R5A-3J4/4R5A-3J4_ligand.pdbqt | data/4R/4R5A-3J4/4R5A-3J4_target.pdbqt | data/4R/4R5A-3J4/4R5A-3J4_decoys.pdbqt | data/4R/4R5A-3J4/4R5A-3J4_decoy_scores.csv |
4RXA-3F2 | data/4R/4RXA-3F2/4RXA-3F2_ligand.pdbqt | data/4R/4RXA-3F2/4RXA-3F2_target.pdbqt | data/4R/4RXA-3F2/4RXA-3F2_decoys.pdbqt | data/4R/4RXA-3F2/4RXA-3F2_decoy_scores.csv |
4R4T-3J0 | data/4R/4R4T-3J0/4R4T-3J0_ligand.pdbqt | data/4R/4R4T-3J0/4R4T-3J0_target.pdbqt | data/4R/4R4T-3J0/4R4T-3J0_decoys.pdbqt | data/4R/4R4T-3J0/4R4T-3J0_decoy_scores.csv |
4RKS-MEV | data/4R/4RKS-MEV/4RKS-MEV_ligand.pdbqt | data/4R/4RKS-MEV/4RKS-MEV_target.pdbqt | data/4R/4RKS-MEV/4RKS-MEV_decoys.pdbqt | data/4R/4RKS-MEV/4RKS-MEV_decoy_scores.csv |
4RYZ-PLM | data/4R/4RYZ-PLM/4RYZ-PLM_ligand.pdbqt | data/4R/4RYZ-PLM/4RYZ-PLM_target.pdbqt | data/4R/4RYZ-PLM/4RYZ-PLM_decoys.pdbqt | data/4R/4RYZ-PLM/4RYZ-PLM_decoy_scores.csv |
4RAC-3L4 | data/4R/4RAC-3L4/4RAC-3L4_ligand.pdbqt | data/4R/4RAC-3L4/4RAC-3L4_target.pdbqt | data/4R/4RAC-3L4/4RAC-3L4_decoys.pdbqt | data/4R/4RAC-3L4/4RAC-3L4_decoy_scores.csv |
4RPJ-UDP | data/4R/4RPJ-UDP/4RPJ-UDP_ligand.pdbqt | data/4R/4RPJ-UDP/4RPJ-UDP_target.pdbqt | data/4R/4RPJ-UDP/4RPJ-UDP_decoys.pdbqt | data/4R/4RPJ-UDP/4RPJ-UDP_decoy_scores.csv |
4R6O-ZZ1 | data/4R/4R6O-ZZ1/4R6O-ZZ1_ligand.pdbqt | data/4R/4R6O-ZZ1/4R6O-ZZ1_target.pdbqt | data/4R/4R6O-ZZ1/4R6O-ZZ1_decoys.pdbqt | data/4R/4R6O-ZZ1/4R6O-ZZ1_decoy_scores.csv |
4R3F-PE5 | data/4R/4R3F-PE5/4R3F-PE5_ligand.pdbqt | data/4R/4R3F-PE5/4R3F-PE5_target.pdbqt | data/4R/4R3F-PE5/4R3F-PE5_decoys.pdbqt | data/4R/4R3F-PE5/4R3F-PE5_decoy_scores.csv |
4RYA-MTL | data/4R/4RYA-MTL/4RYA-MTL_ligand.pdbqt | data/4R/4RYA-MTL/4RYA-MTL_target.pdbqt | data/4R/4RYA-MTL/4RYA-MTL_decoys.pdbqt | data/4R/4RYA-MTL/4RYA-MTL_decoy_scores.csv |
4RFR-RHN | data/4R/4RFR-RHN/4RFR-RHN_ligand.pdbqt | data/4R/4RFR-RHN/4RFR-RHN_target.pdbqt | data/4R/4RFR-RHN/4RFR-RHN_decoys.pdbqt | data/4R/4RFR-RHN/4RFR-RHN_decoy_scores.csv |
4RRL-A3S | data/4R/4RRL-A3S/4RRL-A3S_ligand.pdbqt | data/4R/4RRL-A3S/4RRL-A3S_target.pdbqt | data/4R/4RRL-A3S/4RRL-A3S_decoys.pdbqt | data/4R/4RRL-A3S/4RRL-A3S_decoy_scores.csv |
4RDN-6MD | data/4R/4RDN-6MD/4RDN-6MD_ligand.pdbqt | data/4R/4RDN-6MD/4RDN-6MD_target.pdbqt | data/4R/4RDN-6MD/4RDN-6MD_decoys.pdbqt | data/4R/4RDN-6MD/4RDN-6MD_decoy_scores.csv |
4RX0-FMN | data/4R/4RX0-FMN/4RX0-FMN_ligand.pdbqt | data/4R/4RX0-FMN/4RX0-FMN_target.pdbqt | data/4R/4RX0-FMN/4RX0-FMN_decoys.pdbqt | data/4R/4RX0-FMN/4RX0-FMN_decoy_scores.csv |
4RCH-GLC | data/4R/4RCH-GLC/4RCH-GLC_ligand.pdbqt | data/4R/4RCH-GLC/4RCH-GLC_target.pdbqt | data/4R/4RCH-GLC/4RCH-GLC_decoys.pdbqt | data/4R/4RCH-GLC/4RCH-GLC_decoy_scores.csv |
4RMH-3TE | data/4R/4RMH-3TE/4RMH-3TE_ligand.pdbqt | data/4R/4RMH-3TE/4RMH-3TE_target.pdbqt | data/4R/4RMH-3TE/4RMH-3TE_decoys.pdbqt | data/4R/4RMH-3TE/4RMH-3TE_decoy_scores.csv |
4RN1-L8G | data/4R/4RN1-L8G/4RN1-L8G_ligand.pdbqt | data/4R/4RN1-L8G/4RN1-L8G_target.pdbqt | data/4R/4RN1-L8G/4RN1-L8G_decoys.pdbqt | data/4R/4RN1-L8G/4RN1-L8G_decoy_scores.csv |
4R2M-ANP | data/4R/4R2M-ANP/4R2M-ANP_ligand.pdbqt | data/4R/4R2M-ANP/4R2M-ANP_target.pdbqt | data/4R/4R2M-ANP/4R2M-ANP_decoys.pdbqt | data/4R/4R2M-ANP/4R2M-ANP_decoy_scores.csv |
4RR6-A3S | data/4R/4RR6-A3S/4RR6-A3S_ligand.pdbqt | data/4R/4RR6-A3S/4RR6-A3S_target.pdbqt | data/4R/4RR6-A3S/4RR6-A3S_decoys.pdbqt | data/4R/4RR6-A3S/4RR6-A3S_decoy_scores.csv |
4RLS-49C | data/4R/4RLS-49C/4RLS-49C_ligand.pdbqt | data/4R/4RLS-49C/4RLS-49C_target.pdbqt | data/4R/4RLS-49C/4RLS-49C_decoys.pdbqt | data/4R/4RLS-49C/4RLS-49C_decoy_scores.csv |
4RR4-ORO | data/4R/4RR4-ORO/4RR4-ORO_ligand.pdbqt | data/4R/4RR4-ORO/4RR4-ORO_target.pdbqt | data/4R/4RR4-ORO/4RR4-ORO_decoys.pdbqt | data/4R/4RR4-ORO/4RR4-ORO_decoy_scores.csv |
4ROM-3U8 | data/4R/4ROM-3U8/4ROM-3U8_ligand.pdbqt | data/4R/4ROM-3U8/4ROM-3U8_target.pdbqt | data/4R/4ROM-3U8/4ROM-3U8_decoys.pdbqt | data/4R/4ROM-3U8/4ROM-3U8_decoy_scores.csv |
4RQK-R1S | data/4R/4RQK-R1S/4RQK-R1S_ligand.pdbqt | data/4R/4RQK-R1S/4RQK-R1S_target.pdbqt | data/4R/4RQK-R1S/4RQK-R1S_decoys.pdbqt | data/4R/4RQK-R1S/4RQK-R1S_decoy_scores.csv |
4R38-RBF | data/4R/4R38-RBF/4R38-RBF_ligand.pdbqt | data/4R/4R38-RBF/4R38-RBF_target.pdbqt | data/4R/4R38-RBF/4R38-RBF_decoys.pdbqt | data/4R/4R38-RBF/4R38-RBF_decoy_scores.csv |
4RMG-NAD | data/4R/4RMG-NAD/4RMG-NAD_ligand.pdbqt | data/4R/4RMG-NAD/4RMG-NAD_target.pdbqt | data/4R/4RMG-NAD/4RMG-NAD_decoys.pdbqt | data/4R/4RMG-NAD/4RMG-NAD_decoy_scores.csv |
4RA7-NXU | data/4R/4RA7-NXU/4RA7-NXU_ligand.pdbqt | data/4R/4RA7-NXU/4RA7-NXU_target.pdbqt | data/4R/4RA7-NXU/4RA7-NXU_decoys.pdbqt | data/4R/4RA7-NXU/4RA7-NXU_decoy_scores.csv |
4R29-SAM | data/4R/4R29-SAM/4R29-SAM_ligand.pdbqt | data/4R/4R29-SAM/4R29-SAM_target.pdbqt | data/4R/4R29-SAM/4R29-SAM_decoys.pdbqt | data/4R/4R29-SAM/4R29-SAM_decoy_scores.csv |
4R02-3E5 | data/4R/4R02-3E5/4R02-3E5_ligand.pdbqt | data/4R/4R02-3E5/4R02-3E5_target.pdbqt | data/4R/4R02-3E5/4R02-3E5_decoys.pdbqt | data/4R/4R02-3E5/4R02-3E5_decoy_scores.csv |
4RHE-FMN | data/4R/4RHE-FMN/4RHE-FMN_ligand.pdbqt | data/4R/4RHE-FMN/4RHE-FMN_target.pdbqt | data/4R/4RHE-FMN/4RHE-FMN_decoys.pdbqt | data/4R/4RHE-FMN/4RHE-FMN_decoy_scores.csv |
4RZM-LSD | data/4R/4RZM-LSD/4RZM-LSD_ligand.pdbqt | data/4R/4RZM-LSD/4RZM-LSD_target.pdbqt | data/4R/4RZM-LSD/4RZM-LSD_decoys.pdbqt | data/4R/4RZM-LSD/4RZM-LSD_decoy_scores.csv |
4R3W-A2P | data/4R/4R3W-A2P/4R3W-A2P_ligand.pdbqt | data/4R/4R3W-A2P/4R3W-A2P_target.pdbqt | data/4R/4R3W-A2P/4R3W-A2P_decoys.pdbqt | data/4R/4R3W-A2P/4R3W-A2P_decoy_scores.csv |
4RVR-3WQ | data/4R/4RVR-3WQ/4RVR-3WQ_ligand.pdbqt | data/4R/4RVR-3WQ/4RVR-3WQ_target.pdbqt | data/4R/4RVR-3WQ/4RVR-3WQ_decoys.pdbqt | data/4R/4RVR-3WQ/4RVR-3WQ_decoy_scores.csv |
4RCY-GTP | data/4R/4RCY-GTP/4RCY-GTP_ligand.pdbqt | data/4R/4RCY-GTP/4RCY-GTP_target.pdbqt | data/4R/4RCY-GTP/4RCY-GTP_decoys.pdbqt | data/4R/4RCY-GTP/4RCY-GTP_decoy_scores.csv |
4RR4-3V1 | data/4R/4RR4-3V1/4RR4-3V1_ligand.pdbqt | data/4R/4RR4-3V1/4RR4-3V1_target.pdbqt | data/4R/4RR4-3V1/4RR4-3V1_decoys.pdbqt | data/4R/4RR4-3V1/4RR4-3V1_decoy_scores.csv |
4REQ-5AD | data/4R/4REQ-5AD/4REQ-5AD_ligand.pdbqt | data/4R/4REQ-5AD/4REQ-5AD_target.pdbqt | data/4R/4REQ-5AD/4REQ-5AD_decoys.pdbqt | data/4R/4REQ-5AD/4REQ-5AD_decoy_scores.csv |
4RVN-AMP | data/4R/4RVN-AMP/4RVN-AMP_ligand.pdbqt | data/4R/4RVN-AMP/4RVN-AMP_target.pdbqt | data/4R/4RVN-AMP/4RVN-AMP_decoys.pdbqt | data/4R/4RVN-AMP/4RVN-AMP_decoy_scores.csv |
4RLK-E91 | data/4R/4RLK-E91/4RLK-E91_ligand.pdbqt | data/4R/4RLK-E91/4RLK-E91_target.pdbqt | data/4R/4RLK-E91/4RLK-E91_decoys.pdbqt | data/4R/4RLK-E91/4RLK-E91_decoy_scores.csv |
4R1Y-3EH | data/4R/4R1Y-3EH/4R1Y-3EH_ligand.pdbqt | data/4R/4R1Y-3EH/4R1Y-3EH_target.pdbqt | data/4R/4R1Y-3EH/4R1Y-3EH_decoys.pdbqt | data/4R/4R1Y-3EH/4R1Y-3EH_decoy_scores.csv |
4RW5-OCA | data/4R/4RW5-OCA/4RW5-OCA_ligand.pdbqt | data/4R/4RW5-OCA/4RW5-OCA_target.pdbqt | data/4R/4RW5-OCA/4RW5-OCA_decoys.pdbqt | data/4R/4RW5-OCA/4RW5-OCA_decoy_scores.csv |
4RJW-C8E | data/4R/4RJW-C8E/4RJW-C8E_ligand.pdbqt | data/4R/4RJW-C8E/4RJW-C8E_target.pdbqt | data/4R/4RJW-C8E/4RJW-C8E_decoys.pdbqt | data/4R/4RJW-C8E/4RJW-C8E_decoy_scores.csv |
4RT0-C2E | data/4R/4RT0-C2E/4RT0-C2E_ligand.pdbqt | data/4R/4RT0-C2E/4RT0-C2E_target.pdbqt | data/4R/4RT0-C2E/4RT0-C2E_decoys.pdbqt | data/4R/4RT0-C2E/4RT0-C2E_decoy_scores.csv |
4R33-SAH | data/4R/4R33-SAH/4R33-SAH_ligand.pdbqt | data/4R/4R33-SAH/4R33-SAH_target.pdbqt | data/4R/4R33-SAH/4R33-SAH_decoys.pdbqt | data/4R/4R33-SAH/4R33-SAH_decoy_scores.csv |
4RJX-C8E | data/4R/4RJX-C8E/4RJX-C8E_ligand.pdbqt | data/4R/4RJX-C8E/4RJX-C8E_target.pdbqt | data/4R/4RJX-C8E/4RJX-C8E_decoys.pdbqt | data/4R/4RJX-C8E/4RJX-C8E_decoy_scores.csv |
4R5M-4NO | data/4R/4R5M-4NO/4R5M-4NO_ligand.pdbqt | data/4R/4R5M-4NO/4R5M-4NO_target.pdbqt | data/4R/4R5M-4NO/4R5M-4NO_decoys.pdbqt | data/4R/4R5M-4NO/4R5M-4NO_decoy_scores.csv |
4RX5-3YO | data/4R/4RX5-3YO/4RX5-3YO_ligand.pdbqt | data/4R/4RX5-3YO/4RX5-3YO_target.pdbqt | data/4R/4RX5-3YO/4RX5-3YO_decoys.pdbqt | data/4R/4RX5-3YO/4RX5-3YO_decoy_scores.csv |
4RWL-3ZC | data/4R/4RWL-3ZC/4RWL-3ZC_ligand.pdbqt | data/4R/4RWL-3ZC/4RWL-3ZC_target.pdbqt | data/4R/4RWL-3ZC/4RWL-3ZC_decoys.pdbqt | data/4R/4RWL-3ZC/4RWL-3ZC_decoy_scores.csv |
4RG2-3OO | data/4R/4RG2-3OO/4RG2-3OO_ligand.pdbqt | data/4R/4RG2-3OO/4RG2-3OO_target.pdbqt | data/4R/4RG2-3OO/4RG2-3OO_decoys.pdbqt | data/4R/4RG2-3OO/4RG2-3OO_decoy_scores.csv |
4RK8-3RV | data/4R/4RK8-3RV/4RK8-3RV_ligand.pdbqt | data/4R/4RK8-3RV/4RK8-3RV_target.pdbqt | data/4R/4RK8-3RV/4RK8-3RV_decoys.pdbqt | data/4R/4RK8-3RV/4RK8-3RV_decoy_scores.csv |
4RA9-FLC | data/4R/4RA9-FLC/4RA9-FLC_ligand.pdbqt | data/4R/4RA9-FLC/4RA9-FLC_target.pdbqt | data/4R/4RA9-FLC/4RA9-FLC_decoys.pdbqt | data/4R/4RA9-FLC/4RA9-FLC_decoy_scores.csv |
4RNV-FMN | data/4R/4RNV-FMN/4RNV-FMN_ligand.pdbqt | data/4R/4RNV-FMN/4RNV-FMN_target.pdbqt | data/4R/4RNV-FMN/4RNV-FMN_decoys.pdbqt | data/4R/4RNV-FMN/4RNV-FMN_decoy_scores.csv |
4RGU-FER | data/4R/4RGU-FER/4RGU-FER_ligand.pdbqt | data/4R/4RGU-FER/4RGU-FER_target.pdbqt | data/4R/4RGU-FER/4RGU-FER_decoys.pdbqt | data/4R/4RGU-FER/4RGU-FER_decoy_scores.csv |
4R3M-JR9 | data/4R/4R3M-JR9/4R3M-JR9_ligand.pdbqt | data/4R/4R3M-JR9/4R3M-JR9_target.pdbqt | data/4R/4R3M-JR9/4R3M-JR9_decoys.pdbqt | data/4R/4R3M-JR9/4R3M-JR9_decoy_scores.csv |
4RZ3-ADP | data/4R/4RZ3-ADP/4RZ3-ADP_ligand.pdbqt | data/4R/4RZ3-ADP/4RZ3-ADP_target.pdbqt | data/4R/4RZ3-ADP/4RZ3-ADP_decoys.pdbqt | data/4R/4RZ3-ADP/4RZ3-ADP_decoy_scores.csv |
4R2L-ATP | data/4R/4R2L-ATP/4R2L-ATP_ligand.pdbqt | data/4R/4R2L-ATP/4R2L-ATP_target.pdbqt | data/4R/4R2L-ATP/4R2L-ATP_decoys.pdbqt | data/4R/4R2L-ATP/4R2L-ATP_decoy_scores.csv |
4RHX-3QF | data/4R/4RHX-3QF/4RHX-3QF_ligand.pdbqt | data/4R/4RHX-3QF/4RHX-3QF_target.pdbqt | data/4R/4RHX-3QF/4RHX-3QF_decoys.pdbqt | data/4R/4RHX-3QF/4RHX-3QF_decoy_scores.csv |
4R6O-GLA | data/4R/4R6O-GLA/4R6O-GLA_ligand.pdbqt | data/4R/4R6O-GLA/4R6O-GLA_target.pdbqt | data/4R/4R6O-GLA/4R6O-GLA_decoys.pdbqt | data/4R/4R6O-GLA/4R6O-GLA_decoy_scores.csv |
4RD2-GNP | data/4R/4RD2-GNP/4RD2-GNP_ligand.pdbqt | data/4R/4RD2-GNP/4RD2-GNP_target.pdbqt | data/4R/4RD2-GNP/4RD2-GNP_decoys.pdbqt | data/4R/4RD2-GNP/4RD2-GNP_decoy_scores.csv |
4R33-TRP | data/4R/4R33-TRP/4R33-TRP_ligand.pdbqt | data/4R/4R33-TRP/4R33-TRP_target.pdbqt | data/4R/4R33-TRP/4R33-TRP_decoys.pdbqt | data/4R/4R33-TRP/4R33-TRP_decoy_scores.csv |
4RKE-GNP | data/4R/4RKE-GNP/4RKE-GNP_ligand.pdbqt | data/4R/4RKE-GNP/4RKE-GNP_target.pdbqt | data/4R/4RKE-GNP/4RKE-GNP_decoys.pdbqt | data/4R/4RKE-GNP/4RKE-GNP_decoy_scores.csv |
4RC3-3OA | data/4R/4RC3-3OA/4RC3-3OA_ligand.pdbqt | data/4R/4RC3-3OA/4RC3-3OA_target.pdbqt | data/4R/4RC3-3OA/4RC3-3OA_decoys.pdbqt | data/4R/4RC3-3OA/4RC3-3OA_decoy_scores.csv |
4RUX-3W3 | data/4R/4RUX-3W3/4RUX-3W3_ligand.pdbqt | data/4R/4RUX-3W3/4RUX-3W3_target.pdbqt | data/4R/4RUX-3W3/4RUX-3W3_decoys.pdbqt | data/4R/4RUX-3W3/4RUX-3W3_decoy_scores.csv |
4R34-TRP | data/4R/4R34-TRP/4R34-TRP_ligand.pdbqt | data/4R/4R34-TRP/4R34-TRP_target.pdbqt | data/4R/4R34-TRP/4R34-TRP_decoys.pdbqt | data/4R/4R34-TRP/4R34-TRP_decoy_scores.csv |
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